6-[2-(4-Hydroxy-3-nitrophenyl)acetamido]hexanoic acid (CHEM103064)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (25)XML
Record Information
Version1.0
Creation Date2026-04-05 13:41:51 UTC
Update Date2026-04-05 13:41:51 UTC
Accession NumberCHEM103064
Identification
Common Name6-[2-(4-Hydroxy-3-nitrophenyl)acetamido]hexanoic acid
ClassSmall Molecule
Description6-[2-(4-Hydroxy-3-nitrophenyl)acetamido]hexanoic acid belongs to the nitrophenols, a subclass of phenols within the organic compounds. It is a benzenoid with the formula C14H18N2O6 and an average molecular weight of 310.31 g/mol.
Contaminant SourcesNot Available
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
4-HYDROXY-3-nitrophenylacetyl-EPSILON-aminocaproIC ACIDChEBI
6-{[(4-hydroxy-3-nitrophenyl)acetyl]amino}hexanoic acidChEBI
4-HYDROXY-3-nitrophenylacetyl-EPSILON-aminocaproateGenerator
6-{[(4-hydroxy-3-nitrophenyl)acetyl]amino}hexanoateGenerator
6-[(4-Hydroxy-3-nitrophenyl)acetamido]caproateGenerator
Chemical FormulaC14H18N2O6
Average Molecular Mass310.306 g/mol
Monoisotopic Mass310.116 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESOC(=O)CCCCCNC(=O)CC1=CC(=C(O)C=C1)[N+]([O-])=O
InChI IdentifierInChI=1S/C14H18N2O6/c17-12-6-5-10(8-11(12)16(21)22)9-13(18)15-7-3-1-2-4-14(19)20/h5-6,8,17H,1-4,7,9H2,(H,15,18)(H,19,20)
InChI KeyXAYGJFACOIKJCT-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as nitrophenols. Nitrophenols are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassNitrophenols
Direct ParentNitrophenols
Alternative Parents
Substituents
  • Nitrophenol
  • Phenylacetamide
  • Nitro fatty acid
  • Nitrobenzene
  • Nitroaromatic compound
  • Medium-chain fatty acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Hydroxy fatty acid
  • Monocyclic benzene moiety
  • Fatty acyl
  • Fatty acid
  • Carboxamide group
  • C-nitro compound
  • Secondary carboxylic acid amide
  • Organic nitro compound
  • Propargyl-type 1,3-dipolar organic compound
  • Allyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic oxoazanium
  • Organopnictogen compound
  • Organic nitrogen compound
  • Organic zwitterion
  • Organic oxide
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Carbonyl group
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI ID44604
PubChem Compound ID444167
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available